N4-(1,3-benzodioxol-5-ylmethyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C22H23N5O6 MolecularWeight: 453.44792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H23N5O6/c1-30-16-5-3-14(9-18(16)31-2)7-8-23-21-20(27(28)29)22(26-12-25-21)24-11-15-4-6-17-19(10-15)33-13-32-17/h3-6,9-10,12H,7-8,11,13H2,1-2H3,(H2,23,24,25,26)